2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide

C12H16F2N2O — CID 28879085

IUPAC2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O/c1-8(2)16(3)11(17)7-15-12-9(13)5-4-6-10(12)14/h4-6,8,15H,7H2,1-3H3
InChIKeyDRVPYAOFXRCRBW-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.24
Rot. Bonds4

About 2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide

2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide (PubChem CID 28879085) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide
PubChem CID28879085
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O/c1-8(2)16(3)11(17)7-15-12-9(13)5-4-6-10(12)14/h4-6,8,15H,7H2,1-3H3
InChIKeyDRVPYAOFXRCRBW-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 43385741
2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 104777465
2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879230
2-(2,3-dichloroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28774942
2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 60696807
N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide
CID 61479910
N-cyclohexyl-2-(2,6-difluoroanilino)-N-ethylacetamide
CID 78822634
2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide
CID 107804405
3-(2,6-difluoroanilino)-2-methylpropanamide
CID 43312157
2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28580926
N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81360695
2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 28581707

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide (CID 28879085) is 2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is DRVPYAOFXRCRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(2)16(3)11(17)7-15-12-9(13)5-4-6-10(12)14/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide?
2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 242.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 28879085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).